(5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone

C27H23N5O — CID 45213596

About (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone

(5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone (PubChem CID 45213596) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone.

Molecular Properties

• Compound Name: (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
• PubChem CID: 45213596
• Molecular Formula: C27H23N5O
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.19
• IUPAC Name: (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
• SMILES: Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
• InChI: InChI=1S/C27H23N5O/c1-17-23(31-26(29-17)18-9-3-2-4-10-18)27(33)32-16-14-20-19-11-5-6-12-21(19)30-24(20)25(32)22-13-7-8-15-28-22/h2-13,15,25,30H,14,16H2,1H3,(H,29,31)
• InChIKey: HMLNXOLTAPMLNK-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?

The IUPAC name of (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone (CID 45213596) is (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone.

What is the SMILES notation for (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?

The canonical SMILES for (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone is Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccn1.

What is the InChIKey of (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?

The InChIKey is HMLNXOLTAPMLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-17-23(31-26(29-17)18-9-3-2-4-10-18)27(33)32-16-14-20-19-11-5-6-12-21(19)30-24(20)25(32)22-13-7-8-15-28-22/h2-13,15,25,30H,14,16H2,1H3,(H,29,31).

What are the key properties of (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone?

(5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone has a molecular weight of 433.52 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-2-phenyl-1H-imidazol-4-yl)-(1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone is sourced from PubChem (CID 45213596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).